Adsorption and diffusion of atoms on the Si(335)–Au surface

Podsiadły-Paszkowska, Agata; Krawiec, Mariusz

doi:10.1016/j.susc.2013.11.016

Cited by 6 publications

(8 citation statements)

References 53 publications

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“…To determine the diffusion barriers we placed a single Pb atom at a given position along the step, fixed its x coordinate (parallel to the steps), and allowed to relax the other two coordinates. Comparing total energies of the system calculated at different positions of Pb atom in the direction parallel to the steps, the diffusion barriers have been determined [28]. Note that such an approach provides only approximate values of the diffusion barriers due to the considered discrete nature of Pb atom positions in the x direction (along step edges).…”

Section: Resultsmentioning

confidence: 99%

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Surface diffusion of Pb atoms on the Si(553)-Au surface in narrow quasi-one-dimensional channels

et al. 2014

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The one-dimensional diffusion of individual Pb atoms on the Si(553)-Au surface has been investigated by a combination of scanning tunneling microscopy (STM), spectroscopy (STS), and first-principles density functional theory. The obtained results unambiguously prove that the diffusion channels are limited to a narrow region between Au chains and step edges of the surface. Much wider channels observed in STM and STS data have electronic origin and result from an interaction of Pb with surface atoms. The length of the channels is determined by a distance between defects at step edges of the Si(553)-Au surface. The defects can act as potential barriers or potential wells for Pb atoms, depending on their origin.

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Section: Resultsmentioning

confidence: 99%

“…However, the movement of atoms can become strongly anisotropic or even quasi-one-dimensional in the presence of a specific surface reconstruction or on stepped (vicinal) templates [23][24][25][26][27][28].…”

Section: Introductionmentioning

confidence: 99%

Surface diffusion of Pb atoms on the Si(553)-Au surface in narrow quasi-one-dimensional channels

et al. 2014

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“…Placing the corresponding adatom above the indicated lateral positions into the vacuum, the top four surface layers were freely relaxed in all directions, and the adatom was relaxed perpendicular to the surface plane, confined to the lateral positions. This is a standard procedure to map potential energy landscapes of adatom adsorption above surfaces , or modeling diffusion in other confined directions. , Following this, the total energies of the optimized adatom + surface configurations were calculated. Table reports the obtained total energies relative to the corresponding minimum in the given column.…”

Section: Resultsmentioning

confidence: 99%

“…This is a standard procedure to map potential energy landscapes of adatom adsorption above surfaces 52,53 or modeling diffusion in other confined directions. 54,55 Following this, the total energies of the optimized adatom + surface configurations were calculated. Table 4 reports the obtained total energies relative to the corresponding minimum in the given column.…”

Section: Comparison Of Ordered Surface Alloy and Added Au Rowmentioning

confidence: 99%

Au–Rh Surface Structures on Rh(111): DFT Insights into the Formation of an Ordered Surface Alloy

et al. 2018

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Surface alloying is an important technique to change their chemical properties. In this study, by employing density functional theory (DFT) calculations, the atomic arrangements and energetics of an extensive set of Au-Rh structures in a confined (2×1) surface cell on a Rh(111) substrate are investigated. An ordered surface alloy layer composed of 50% Au and 50% Rh is identified as the energetically favored structure, which corresponds to a configuration proposed previously based on scanning tunneling microscopy (STM) imaging [Óvári et al. PCCP, 2016, 18, 25230]. Comparing this surface alloy with another candidate structure in terms of Rh and Au adsorption characteristics, the bonding preference among Rh and Au species is recovered. DFT-based simulated STM images reveal bias-voltage-dependent contrast differences among selected corrugated surface layer structures at various Au coverages. Furthermore, several new experimental results obtained by STM and low energy ion scattering (LEIS) on the thermally induced formation of the ordered Au-Rh surface alloy are also presented in this work. Our calculation approach and results are expected to contribute to the understanding of the formation of metallic surface alloys of various chemical compositions.

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“…When all these parameters are calculated, the next step is to describe particle diffusion process in this energy landscape. Development of ab-initio calculations in the last years resulted in very accurate description of the surface energy landscape at various systems [1][2][3][4][5][6][7][8][9][10][11][12][13][14] . For many crystals, important because of their applications in nanotechnology or biotechnology, full energy map at the specific surface orientations and reconstructions were done.…”

Section: Introductionmentioning

confidence: 99%

Diffusion of Ga adatoms at the surface of GaAs(001) c(4x4) $α$ and $β$ reconstructions

Mińkowski,

Załuska-Kotur

2014

Preprint

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Diffusion of Ga adatom at the As rich, low temperature c(4×4) reconstructions of GaAs(001) surface is analyzed. We use known energy landscape for the motion of Ga adatom at two different α and β surface phases to calculate diffusion tensor by means of the variational approach. Diffusion coefficient describes the character of low density adatom system motion at the surface. The resulting expressions allow to identify main paths of an adatom diffusion and to calculate an activation energy of this process. It is shown that diffusion at the α surface is slower and more anisotropic than this for the β surface.

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Adsorption and diffusion of atoms on the Si(335)–Au surface

Cited by 6 publications

References 53 publications

Surface diffusion of Pb atoms on the Si(553)-Au surface in narrow quasi-one-dimensional channels

Surface diffusion of Pb atoms on the Si(553)-Au surface in narrow quasi-one-dimensional channels

Au–Rh Surface Structures on Rh(111): DFT Insights into the Formation of an Ordered Surface Alloy

Diffusion of Ga adatoms at the surface of GaAs(001) c(4x4) $α$ and $β$ reconstructions

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